Anionic character of the conduction band of sodium chloride

The alkali halides are ionic compounds. Each alkali atom donates an electron to a halogen atom, leading to ions with full shells. The valence band is mainly located on halogen atoms, while, in a traditional picture, the conduction band is mainly located on alkali atoms. Scanning tunnelling microscop...

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Detalles Bibliográficos
Autores principales: Leon, Christopher C., Grewal, Abhishek, Kuhnke, Klaus, Kern, Klaus, Gunnarsson, Olle
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8861091/
https://www.ncbi.nlm.nih.gov/pubmed/35190545
http://dx.doi.org/10.1038/s41467-022-28392-8
Descripción
Sumario:The alkali halides are ionic compounds. Each alkali atom donates an electron to a halogen atom, leading to ions with full shells. The valence band is mainly located on halogen atoms, while, in a traditional picture, the conduction band is mainly located on alkali atoms. Scanning tunnelling microscopy of NaCl at 4 K actually shows that the conduction band is located on Cl(−) because the strong Madelung potential reverses the order of the Na(+) 3s and Cl(−) 4s levels. We verify this reversal is true for both atomically thin and bulk NaCl, and discuss implications for II-VI and I-VII compounds.

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